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Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate

Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate - CAS 881476-28-4

Catalog:	BB052841
Product Name:	Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
CAS:	881476-28-4
Synonyms:	ethyl3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate

Technical Data

Computed Properties

IUPAC Name:	ethyl 3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxylate
Molecular Weight:	340.26
Molecular Formula:	C14H11F3N4O3
Canonical SMILES:	CCOC(=O)C1=NC(=NO1)CN2C3=CC=CC=C3N=C2C(F)(F)F
InChI:	InChI=1S/C14H11F3N4O3/c1-2-23-12(22)11-19-10(20-24-11)7-21-9-6-4-3-5-8(9)18-13(21)14(15,16)17/h3-6H,2,7H2,1H3
InChI Key:	DQHBQTGRUBXLJA-UHFFFAOYSA-N
Boiling Point:	438.7±55.0 °C at 760 mmHg
Density:	1.5±0.1 g/cm3

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Related Functional Groups

Benzimidazoles

[1253394-89-6]
1-(butan-2-yl)-5-chloro-1H-1,3-benzodiazole-2-carbaldehyde
[881476-28-4]
Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
[1378947-22-8]
6-Bromo-2-chloro-1-methyl-1H-benzo[d]imidazole
[29043-48-9]
6-Amino-2-methylbenzimidazole
[22492-14-4]
1-(4-Nitrophenyl)-1H-benzimidazole
[5429-62-9]
Ethyl (1H-benzimidazol-2-ylthio)acetate

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Halides

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline

Oxadiazole/Thiadiazole

[938459-06-4]
1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
[1170931-46-0]
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[1172750-87-6]
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1018125-37-5]
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[96898-36-1]
Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate

Complexity:	465
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	340.07832471
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	340.07832471
Rotatable Bond Count:	5
Topological Polar Surface Area:	83
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8